| Record Information |
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| Version | 2.0 |
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| Created at | 2023-11-02 12:03:22 UTC |
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| Updated at | 2025-02-11 15:44:32 UTC |
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| NP-MRD ID | NP0332095 |
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| Natural Product DOI | https://doi.org/10.57994/1223 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | maydistacin C |
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| Description | Maydistacin C belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Based on a literature review very few articles have been published on maydistacin C. |
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| Structure | [H][C@]12C\C=C(C)\[C@H](O)CC[C@@](C)(O)\C=C\C\C(C)=C\C[C@]1(C)C(=O)C(O)=C2[C@H](C)COC(C)=O InChI=1S/C27H40O6/c1-17-8-7-13-26(5,32)14-12-22(29)18(2)9-10-21-23(19(3)16-33-20(4)28)24(30)25(31)27(21,6)15-11-17/h7,9,11,13,19,21-22,29-30,32H,8,10,12,14-16H2,1-6H3/b13-7+,17-11+,18-9+/t19-,21-,22-,26+,27+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C27H40O6 |
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| Average Mass | 460.6110 Da |
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| Monoisotopic Mass | 460.28249 Da |
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| IUPAC Name | (2S)-2-[(3aS,10R,13R,16aR)-2,10,13-trihydroxy-3a,6,10,14-tetramethyl-3-oxo-3H,3aH,4H,7H,10H,11H,12H,13H,16H,16aH-cyclopenta[15]annulen-1-yl]propyl acetate |
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| Traditional Name | (2S)-2-[(3aS,10R,13R,16aR)-2,10,13-trihydroxy-3a,6,10,14-tetramethyl-3-oxo-4H,7H,11H,12H,13H,16H,16aH-cyclopenta[15]annulen-1-yl]propyl acetate |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@]12C\C=C(C)\[C@H](O)CC[C@@](C)(O)\C=C\C\C(C)=C\C[C@]1(C)C(=O)C(O)=C2[C@H](C)COC(C)=O |
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| InChI Identifier | InChI=1S/C27H40O6/c1-17-8-7-13-26(5,32)14-12-22(29)18(2)9-10-21-23(19(3)16-33-20(4)28)24(30)25(31)27(21,6)15-11-17/h7,9,11,13,19,21-22,29-30,32H,8,10,12,14-16H2,1-6H3/b13-7+,17-11+,18-9+/t19-,21-,22-,26+,27+/m1/s1 |
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| InChI Key | RCSQWTNSYUNLQG-AUKSCJOSSA-N |
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| Experimental Spectra |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2024-05-04 | View Spectrum | | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2023-11-02 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2023-11-02 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2023-11-02 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2023-11-02 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2023-11-02 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2023-11-02 | View Spectrum |
| | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| | Chemical Shift Submissions |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 1H NMR Spectrum (1D, 400, CD3OD, simulated) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2024-05-04 | View Spectrum |
| | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Bipolaris maydis | | |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Sesterterpenoids |
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| Direct Parent | Sesterterpenoids |
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| Alternative Parents | |
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| Substituents | - Sesterterpenoid
- Fatty alcohol ester
- Alpha-branched alpha,beta-unsaturated-ketone
- Alpha,beta-unsaturated ketone
- Tertiary alcohol
- Enone
- Alpha-hydroxy ketone
- Acryloyl-group
- Secondary alcohol
- Ketone
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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